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Information card for entry 7243464
Preview
Coordinates | 7243464.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H36 Br4 Cl2 S32 Zn |
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Calculated formula | C46 H36 Br4 Cl2 S32 Zn |
Title of publication | Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature |
Authors of publication | Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N. |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 37 |
Pages of publication | 6620 - 6625 |
a | 9.38534 ± 0.00017 Å |
b | 9.99249 ± 0.00019 Å |
c | 74.2113 ± 0.0014 Å |
α | 91.1767 ± 0.0015° |
β | 90.4551 ± 0.0015° |
γ | 90.1829 ± 0.0015° |
Cell volume | 6958 ± 0.2 Å3 |
Cell temperature | 280 ± 1 K |
Ambient diffraction temperature | 280 ± 1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | I -1 |
Hall space group symbol | -I 1 |
Residual factor for all reflections | 0.0988 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.1022 |
Weighted residual factors for all reflections included in the refinement | 0.1221 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243464.html
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Users of the data should acknowledge the original authors of the
structural data.